0  B4R0.1  C#CC(O)C B0123 [0,0,0,0,0,0|1,0,1]=2
1  B5R0.1  CC(OCBr)=O B0074 [0,1,0,0,0,0|1,0,2]=4
2  B5R0.1  CNCC(O)=O S0121 [0,1,0,0,0,0|2,0,1]=4
3  B5R0.3  OCC(Cl)CO C0752 [0,1,0,0,0,0|1,0,0]=2
4  B5R0.4  CNC(C)(C)C M0515 [0,1,0,0,0,0|3,0,0]=4
5  B4R0.2  CC\C=N\O P0059 [1,1,0,0,0,0|0,0,1]=3
6  B6R0.2  CC(O)CC([O-])=O H0080 [0,2,0,0,0,0|0,0,1]=3
7  B6R0.3  OC[C@H](C)C([O-])=O H0292 [0,2,0,0,0,0|0,0,1]=3
8  B6R0.5  C([N+](C)(C)C)CO C0381 [0,2,0,0,0,0|2,0,0]=4